2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone

C15H15N3O2 — CID 116550378

IUPAC2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
SMILESNc1ncccc1CC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H15N3O2/c16-15-10(4-3-7-17-15)8-12(19)14-9-18-11-5-1-2-6-13(11)20-14/h1-7,14,18H,8-9H2,(H2,16,17)
InChIKeyUPXGZVSSECZDQD-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone

2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone (PubChem CID 116550378) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
PubChem CID116550378
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
SMILESNc1ncccc1CC(=O)C1CNc2ccccc2O1
InChIInChI=1S/C15H15N3O2/c16-15-10(4-3-7-17-15)8-12(19)14-9-18-11-5-1-2-6-13(11)20-14/h1-7,14,18H,8-9H2,(H2,16,17)
InChIKeyUPXGZVSSECZDQD-UHFFFAOYSA-N
XLogP1.65
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
CID 116550365
(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 7020375
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-2-(3-fluorophenyl)ethanone
CID 116550173
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-4-phenylbutan-1-one
CID 116550220
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-3-methylidenepentan-1-one
CID 116550383
1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)-3-ethylsulfonylpropan-1-one
CID 106736134
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-chromen-3-yl)ethanone
CID 65407017
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947
N-(2-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24701248
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
CID 116550284
2-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone
CID 116550272
2-(2-amino-3-pyridinyl)-1-piperidin-3-ylethanone
CID 116548123

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone?
The IUPAC name of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone (CID 116550378) is 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone.
What is the SMILES notation for 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone?
The canonical SMILES for 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone is Nc1ncccc1CC(=O)C1CNc2ccccc2O1.
What is the InChIKey of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone?
The InChIKey is UPXGZVSSECZDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-15-10(4-3-7-17-15)8-12(19)14-9-18-11-5-1-2-6-13(11)20-14/h1-7,14,18H,8-9H2,(H2,16,17).
What are the key properties of 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone?
2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone has a molecular weight of 269.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-pyridinyl)-1-(3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanone is sourced from PubChem (CID 116550378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).